N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-(quinazolin-4-ylthio)acetamide Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=NC3=CC=CC=C32)CC4=CC=CS4)C

InChI

InChI=1S/C22H19N5OS2/c1-14-15(2)27(11-16-6-5-9-29-16)21(18(14)10-23)26-20(28)12-30-22-17-7-3-4-8-19(17)24-13-25-22/h3-9,13H,11-12H2,1-2H3,(H,26,28)